2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C16H28N4O — CID 120555639

IUPAC2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CC(C)C(=O)NC1CCNCC1C
InChIInChI=1S/C16H28N4O/c1-10(8-14-12(3)19-20(5)13(14)4)16(21)18-15-6-7-17-9-11(15)2/h10-11,15,17H,6-9H2,1-5H3,(H,18,21)
InChIKeyQLOJDTYIPFXKLI-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.33
Rot. Bonds4

About 2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 120555639) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID120555639
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CC(C)C(=O)NC1CCNCC1C
InChIInChI=1S/C16H28N4O/c1-10(8-14-12(3)19-20(5)13(14)4)16(21)18-15-6-7-17-9-11(15)2/h10-11,15,17H,6-9H2,1-5H3,(H,18,21)
InChIKeyQLOJDTYIPFXKLI-UHFFFAOYSA-N
XLogP1.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120555638
N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 120555090
(2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95778785
N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119612567
2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120998441
2-cyclopropyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 119213844
2-methyl-N-(3-piperazin-1-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119394606
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294
4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170957
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120555554
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120554239
(2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 97065139

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 120555639) is 2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CC(C)C(=O)NC1CCNCC1C.
What is the InChIKey of 2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is QLOJDTYIPFXKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-10(8-14-12(3)19-20(5)13(14)4)16(21)18-15-6-7-17-9-11(15)2/h10-11,15,17H,6-9H2,1-5H3,(H,18,21).
What are the key properties of 2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 292.43 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 120555639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).